(4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol

C12H18N2O — CID 115096017

IUPAC(4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol
SMILESCCN1CC(C)Nc2cccc(CO)c21
InChIInChI=1S/C12H18N2O/c1-3-14-7-9(2)13-11-6-4-5-10(8-15)12(11)14/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyDOKPRVIPHCJIDP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.82
Rot. Bonds2

About (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol

(4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol (PubChem CID 115096017) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol
PubChem CID115096017
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol
SMILESCCN1CC(C)Nc2cccc(CO)c21
InChIInChI=1S/C12H18N2O/c1-3-14-7-9(2)13-11-6-4-5-10(8-15)12(11)14/h4-6,9,13,15H,3,7-8H2,1-2H3
InChIKeyDOKPRVIPHCJIDP-UHFFFAOYSA-N
XLogP1.82
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(hydroxymethyl)-1-methyl-3,4-dihydroquinoxalin-2-one
CID 115095925
4-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-quinoxaline
CID 115095182
(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 130741224
2,5-diethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620474
(1-ethyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115095768
5-(hydroxymethyl)-4-methyl-1,3-dihydroquinoxalin-2-one
CID 115096457
methyl 4-ethyl-2-methyl-2,3-dihydro-1H-quinoxaline-6-carboxylate
CID 115096188
2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine
CID 117204145
(3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol
CID 115096513
(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115096618
2,5,6-trimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84618965
2,4-dimethyl-2,3-dihydro-1H-quinoxaline;ethane
CID 156796613

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol?
The IUPAC name of (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol (CID 115096017) is (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol.
What is the SMILES notation for (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol?
The canonical SMILES for (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol is CCN1CC(C)Nc2cccc(CO)c21.
What is the InChIKey of (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol?
The InChIKey is DOKPRVIPHCJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-14-7-9(2)13-11-6-4-5-10(8-15)12(11)14/h4-6,9,13,15H,3,7-8H2,1-2H3.
What are the key properties of (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol?
(4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol has a molecular weight of 206.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanol is sourced from PubChem (CID 115096017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).